2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide

C16H18N4OS — CID 99875589

IUPAC2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C16H18N4OS/c1-22-16-13(5-4-9-18-16)15(21)19-12-7-10-20(11-12)14-6-2-3-8-17-14/h2-6,8-9,12H,7,10-11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyWOJIJHPSLPZLGF-LBPRGKRZSA-N
MW314.41 g/mol
LogP2.21
Rot. Bonds4

About 2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide

2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 99875589) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID99875589
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C16H18N4OS/c1-22-16-13(5-4-9-18-16)15(21)19-12-7-10-20(11-12)14-6-2-3-8-17-14/h2-6,8-9,12H,7,10-11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyWOJIJHPSLPZLGF-LBPRGKRZSA-N
XLogP2.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 129355700
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
2-methylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-3-carboxamide
CID 26323220
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
N-(1-pyridin-2-ylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 90621383
N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 136998422
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
1-(3-methylsulfanylpropyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97240988
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-3-carboxamide
CID 99697234
2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide
CID 90621231

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide (CID 99875589) is 2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide is CSc1ncccc1C(=O)N[C@H]1CCN(c2ccccn2)C1.
What is the InChIKey of 2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is WOJIJHPSLPZLGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-22-16-13(5-4-9-18-16)15(21)19-12-7-10-20(11-12)14-6-2-3-8-17-14/h2-6,8-9,12H,7,10-11H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide?
2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 99875589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).